5-[(2-methyl-5-nitro-phenyl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(2-methyl-5-nitro-phenyl)methyl]-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(2-methyl-5-nitro-phenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-(2-methyl-5-nitro-benzyl)-2-(methylthio)-1H-pyrimidin-6-one Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(N=C(NC2=O)SC)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(N=C(NC2=O)SC)O

InChI

InChI=1S/C13H13N3O4S/c1-7-3-4-9(16(19)20)5-8(7)6-10-11(17)14-13(21-2)15-12(10)18/h3-5H,6H2,1-2H3,(H2,14,15,17,18)